CID 139596243

Hopas n=7 m=8

Structural Information

Molecular Formula
C30H33F29O8
SMILES
C(COCCOCCOCCOCCOCCOCCOCCO)C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C30H33F29O8/c31-17(32,1-3-61-5-7-63-9-11-65-13-15-67-16-14-66-12-10-64-8-6-62-4-2-60)18(33,34)19(35,36)20(37,38)21(39,40)22(41,42)23(43,44)24(45,46)25(47,48)26(49,50)27(51,52)28(53,54)29(55,56)30(57,58)59/h60H,1-16H2
InChIKey
NKGDYCLBCLNLHS-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1072.1713 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1073.1786 253.8
[M+Na]+ 1095.1605 251.8
[M-H]- 1071.1640 264.4
[M+NH4]+ 1090.2051 267.3
[M+K]+ 1111.1345 270.4
[M+H-H2O]+ 1055.1686 238.9
[M+HCOO]- 1117.1695 264.9
[M+CH3COO]- 1131.1852 294.6
[M+Na-2H]- 1093.1460 249.3
[M]+ 1072.1708 254.5
[M]- 1072.1718 254.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.